SCHEMBL9201664

SCHEMBL9201664

Cn1c(N2CCN(CCOc3ccc4oc(-c5ccccc5)cc(=O)c4c3)CC2)cc(=O)n(C)c1=O

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.64

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Oxalic Acid SCHEMBL9205890 0.97 SIGMAR1 (0.60) SIGMAR1
SCHEMBL9204614 0.95 SIGMAR1 (0.68) SIGMAR1
SCHEMBL9206183 0.94 BCHE (0.61) SIGMAR1
Oxalic Acid SCHEMBL9205537 0.92 SIGMAR1 (0.66) SIGMAR1
Oxalic Acid SCHEMBL9202249 0.90 BCHE (0.60) SIGMAR1
Oxalic Acid SCHEMBL9203704 0.86 SIGMAR1 (0.62) SIGMAR1
Oxalic Acid SCHEMBL9738611 0.85 SIGMAR1 (0.54) SIGMAR1
SCHEMBL8786638 0.80 SIGMAR1 (0.85) SIGMAR1
SCHEMBL9429366 0.79 ALDH1A1 (0.52) SIGMAR1
SCHEMBL8786727 0.78 SIGMAR1 (1.00) SIGMAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0430693-B1 Pyrimidinedione derivative compounds, method for preparing same, and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS (JP) 1995-05-31 EP disclosed
US-5114941-A PYRIMIDINEDIONE DERIVATIVE COMPOUNDS, METHOD FOR PREPARING SAME, AND ANTIARRYTHMIC AGENTS CONTAINING SAME MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-05-19 US disclosed
EP-0430693-A2 Pyrimidinedione derivative compounds, method for preparing same, and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-06-05 EP disclosed